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A novel molecule generative model of VAE combined with Transformer for
  unseen structure generation

A novel molecule generative model of VAE combined with Transformer for unseen structure generation

19 February 2024
Yasuhiro Yoshikai
T. Mizuno
Shumpei Nemoto
Hiroyuki Kusuhara
ArXivPDFHTML

Papers citing "A novel molecule generative model of VAE combined with Transformer for unseen structure generation"

3 / 3 papers shown
Title
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation
  Models
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Daniil Polykovskiy
Alexander Zhebrak
Benjamín Sánchez-Lengeling
Sergey Golovanov
Oktai Tatanov
...
Simon Johansson
Hongming Chen
Sergey I. Nikolenko
Alán Aspuru-Guzik
Alex Zhavoronkov
ELM
194
633
0
29 Nov 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,338
0
12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
172
1,778
0
02 Mar 2017
1